10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine

C22H25ClF3N3S — CID 154323058

IUPAC10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine
SMILESFC(F)(F)c1ccc2c(c1)N(CCCC(CCl)N1CCNCC1)c1ccccc1S2
InChIInChI=1S/C22H25ClF3N3S/c23-15-17(28-12-9-27-10-13-28)4-3-11-29-18-5-1-2-6-20(18)30-21-8-7-16(14-19(21)29)22(24,25)26/h1-2,5-8,14,17,27H,3-4,9-13,15H2
InChIKeyNBLDWAWTKONRBD-UHFFFAOYSA-N
MW455.98 g/mol
LogP5.60
Rot. Bonds6

About 10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine

10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine (PubChem CID 154323058) has the molecular formula C22H25ClF3N3S and a molecular weight of 455.98 g/mol. Its IUPAC name is 10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine.

Molecular Properties

Compound Name10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine
PubChem CID154323058
Molecular FormulaC22H25ClF3N3S
Molecular Weight455.98 g/mol
Exact Mass455.14
IUPAC Name10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine
SMILESFC(F)(F)c1ccc2c(c1)N(CCCC(CCl)N1CCNCC1)c1ccccc1S2
InChIInChI=1S/C22H25ClF3N3S/c23-15-17(28-12-9-27-10-13-28)4-3-11-29-18-5-1-2-6-20(18)30-21-8-7-16(14-19(21)29)22(24,25)26/h1-2,5-8,14,17,27H,3-4,9-13,15H2
InChIKeyNBLDWAWTKONRBD-UHFFFAOYSA-N
XLogP5.60
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.98
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-methylpiperazine;10-propyl-2-(trifluoromethyl)phenothiazine
CID 143153499
bis((Z)-but-2-enedioic acid);10-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine
CID 10175468
10-(3-pyrrolidin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 21333443
10-[4-(4-methylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine
CID 139567030
10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride
CID 2913535
10-[3-(4-propylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
CID 58645990
10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine
CID 135251829
10-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)phenothiazine
CID 6431810
10-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine
CID 154273971
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-1,2,4-triazinan-1-yl]ethanol
CID 162578071
2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride
CID 178190515
10-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine
CID 24841513

Frequently Asked Questions

What is the IUPAC name of 10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine?
The IUPAC name of 10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine (CID 154323058) is 10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine.
What is the SMILES notation for 10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine?
The canonical SMILES for 10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine is FC(F)(F)c1ccc2c(c1)N(CCCC(CCl)N1CCNCC1)c1ccccc1S2.
What is the InChIKey of 10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine?
The InChIKey is NBLDWAWTKONRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClF3N3S/c23-15-17(28-12-9-27-10-13-28)4-3-11-29-18-5-1-2-6-20(18)30-21-8-7-16(14-19(21)29)22(24,25)26/h1-2,5-8,14,17,27H,3-4,9-13,15H2.
What are the key properties of 10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine?
10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine has a molecular weight of 455.98 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-chloro-4-piperazin-1-ylpentyl)-2-(trifluoromethyl)phenothiazine is sourced from PubChem (CID 154323058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).